o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-
TL;DR: o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro- (CAS 50824-04-9) is a chemical compound with molecular formula C7H4BrF3O and molecular weight 239.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-(trifluoromethyl)phenol
Also Known As: 4-Bromo-2-(trifluoromethyl)phenol, 4-Bromo-2-trifluoromethylphenol, 4-bromo-2-(trifluoromethyl)benzenol, 5-Bromo-2-hydroxybenzotrifluoride, bromotrifluoromethylbenzenol
| Molecular Formula | C7H4BrF3O |
|---|---|
| Molecular Weight | 239.94 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.93976 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 50824-04-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C(F)(F)F)O |
| InChIKey | PDPGERGWEOJVDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro- (CAS 50824-04-9), with molecular formula C7H4BrF3O and molecular weight 239.94 g/mol. IUPAC: 4-bromo-2-(trifluoromethyl)phenol.
Chemical Property Profile of o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-
Property Insights of o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-
The XLogP value of 3.1 indicates that o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-?
The CAS number of o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro- is 50824-04-9.
What is the molecular formula of o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-?
The molecular formula of o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro- is C7H4BrF3O.
What is the molecular weight of o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-?
The molecular weight of o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro- is 239.94 g/mol.
Where can I buy o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-?
You can request a quote for o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.